1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide

C14H19N3O2 — CID 104592116

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(/C(N)=N/O)CC1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10(11-5-3-2-4-6-11)9-16-13(18)14(7-8-14)12(15)17-19/h2-6,10,19H,7-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYLHKJXAHLOPBAY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds5

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 104592116) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID104592116
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(/C(N)=N/O)CC1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10(11-5-3-2-4-6-11)9-16-13(18)14(7-8-14)12(15)17-19/h2-6,10,19H,7-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYLHKJXAHLOPBAY-UHFFFAOYSA-N
XLogP1.43
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylpropyl)cyclopropane-1-carboxamide
CID 104861520
N-benzyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920758
1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
CID 80597497
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 80593151
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434
N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80593987
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80591264
1-(N'-hydroxycarbamimidoyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 76920459
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide (CID 104592116) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide is CC(CNC(=O)C1(/C(N)=N/O)CC1)c1ccccc1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is YLHKJXAHLOPBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(11-5-3-2-4-6-11)9-16-13(18)14(7-8-14)12(15)17-19/h2-6,10,19H,7-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 104592116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).